SCHEMBL9697920

SCHEMBL9697920

CC(C)(C)OC(=O)CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSC3=CC(=O)OC3)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ NR1I2 O75469 5/20 0.40
▸ PGR P06401 3/20 0.40
▸ PPARG P37231 3/20 0.39
▸ SLC22A6 Q4U2R8 2/20 0.39
▸ SLC22A8 Q8TCC7 2/20 0.39
▸ SLC22A11 Q9NSA0 2/20 0.39
▸ DAO P14920 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ CYP2J2 P51589 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ TDP1 Q9NUW8 5/20 0.39
▸ APAF1 O14727 2/20 0.39
▸ APEX1 P27695 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PLCG1 P19174 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9697926 1.00 KMT2A (0.40) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9696953 0.92 KMT2A (0.48) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9696960 0.92 KMT2A (0.48) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9696993 0.91 KMT2A (0.41) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9696988 0.91 KMT2A (0.41) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL10985827 0.89 PTGS1 (0.44) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL10985834 0.89 PTGS1 (0.44) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL5712682 0.88 PTGS1 (0.43) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL5712680 0.88 PTGS1 (0.43) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL9361234 0.85 PTGS1 (0.44) KMT2ANR1I2PGRPPARGSLC22A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5158946-A Antibiotics, bactericides BEECHAM GROUP P.L.C. (GB) 1992-10-27 — — US disclosed
EP-0418020-A2 Cephalosporinderivatives, process for their preparation and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1991-03-20 — — EP disclosed
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